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5958-24-7

Basic Information
CAS No.: 5958-24-7
Name: 6-CHLORO-2-(CHLOROMETHYL)-3-OXIDO-4-PHENYL-QUINAZOLINE
Article Data: 11
Molecular Structure:
Molecular Structure of 5958-24-7 (6-CHLORO-2-(CHLOROMETHYL)-3-OXIDO-4-PHENYL-QUINAZOLINE)
Formula: C15H10Cl2N2O
Molecular Weight: 305.163
Synonyms: 6-Chloro-2-(chloromethyl)-4-phenyl quinazoline-3-oxide;6-chloro-2-(choromethyl)-4-phenylquina- zoline-3-oxide,5958-24-7;Quinazoline, 6-chloro-2-(chloromethyl)-4-phenyl-, 3-oxide;2-Chloromethyl-4-phenyl-6-chloroquinazoline-3-oxide;6-chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline;
Density: 1.38 g/cm3
Boiling Point: 495.6 °C at 760 mmHg
Flash Point: 253.5 °C
PSA: 38.35000
LogP: 4.72250
Synthetic route
79-04-9

chloroacetyl chloride

18097-52-4

2-amino-5-chlorobenzophenone oxime

5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

Conditions
ConditionsYield
In acetic acid at 50℃; for 0.166667h;74%
719-59-5

2-Amino-5-chlorobenzophenone

5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89 percent / NH2OH*HCl / aq. ethanol / 10 h / Heating
2: 74 percent / acetic acid / 0.17 h / 50 °C
View Scheme
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

124-40-3

dimethyl amine

72624-66-9

6-Chlor-2-(dimethylamino)methyl-4-phenyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;97%
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

7722-15-8

N-Demethylchlordiazepoxide

Conditions
ConditionsYield
With ammonia In methanol for 72h; Ambient temperature;96%
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

100-61-8

N-methylaniline

6-Chlor-2-<(N-methyl)-phenylamino>methyl-4-phenyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;76%
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

62-53-3

aniline

27424-13-1

6-Chlor-4-phenyl-2-(phenylamino)methyl-chinazolin-3-oxid

Conditions
ConditionsYield
In methanol for 72h; Ambient temperature;65%
2038-03-1

4-(2-AMINOETHYL)MORPHOLINE

5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

(7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(2-morpholin-4-yl-ethyl)-amine

123-00-2

4-(3-Aminopropyl)morpholine

5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

(7-chloro-4-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-(3-morpholin-4-yl-propyl)-amine

5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

15952-20-2

6-chloro-2-phenylbenzo[d]oxazole

Conditions
ConditionsYield
In benzene Irradiation;
5958-24-7

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

30739-32-3

8-chloro-6-phenyl-1H-benzo[d][1,2,6]oxadiazocin-2-one oxime

Conditions
ConditionsYield
With potassium chloride; hydroxylamine hydrochloride In ethanol
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Specification

The Cmpcqo, with the CAS registry number of 5958-24-7, is also known as 6-Chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline. This chemical's molecular formula is C15H10Cl2N2O and molecular weight is 305.1587. What's more, its IUPAC name is 6-Chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium.

Physical properties about Cmpcqo are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.54; (6)ACD/BCF (pH 7.4): 9.54; (7)ACD/KOC (pH 5.5): 174.86; (8)ACD/KOC (pH 7.4): 174.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 81.08 cm3; (15)Molar Volume: 219.9 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.38 g/cm3; (18)Flash Point: 253.5 °C; (19)Enthalpy of Vaporization: 73.42 kJ/mol; (20)Boiling Point: 495.6 °C at 760 mmHg; (21)Vapour Pressure: 1.77E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2nc([n+]([O-])c(c2c1)c3ccccc3)CCl
(2) InChI: InChI=1/C15H10Cl2N2O/c16-9-14-18-13-7-6-11(17)8-12(13)15(19(14)20)10-4-2-1-3-5-10/h1-8H,9H2
(3) InChIKey: KFDNKXWSTFABQT-UHFFFAOYAZ